2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid

C12H19F3N2O3 — CID 106744390

IUPAC2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-8-7-9(10(18)19)3-5-17(8)11(20)16(2)6-4-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyDYEGKEHHAZRALK-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.18
Rot. Bonds3

About 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 106744390) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID106744390
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-8-7-9(10(18)19)3-5-17(8)11(20)16(2)6-4-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyDYEGKEHHAZRALK-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid (CID 106744390) is 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is DYEGKEHHAZRALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-8-7-9(10(18)19)3-5-17(8)11(20)16(2)6-4-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).